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DL-trans-2-acetoxy-1-benzoyloxymethyl-3-[(E)-cinnamoyloxy]-4,6-cyclohexadiene
SpectraBase Compound ID 4jtk7ZWrQMw
InChI InChI=1S/C25H22O6/c1-18(26)30-24-21(17-29-25(28)20-11-6-3-7-12-20)13-8-14-22(24)31-23(27)16-15-19-9-4-2-5-10-19/h2-16,22,24H,17H2,1H3/b16-15+/t22-,24-/m0/s1
InChIKey VOEKMRNHMYZLBI-PHTIFGKJSA-N
Mol Weight 418.45 g/mol
Molecular Formula C25H22O6
Exact Mass 418.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8pmi6xRUbuv
Name DL-trans-2-acetoxy-1-benzoyloxymethyl-3-[(E)-cinnamoyloxy]-4,6-cyclohexadiene
CAS Registry Number 104874-73-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H22O6
InChI InChI=1S/C25H22O6/c1-18(26)30-24-21(17-29-25(28)20-11-6-3-7-12-20)13-8-14-22(24)31-23(27)16-15-19-9-4-2-5-10-19/h2-16,22,24H,17H2,1H3/b16-15+/t22-,24-/m0/s1
InChIKey VOEKMRNHMYZLBI-PHTIFGKJSA-N
Molecular Weight 418.445 g/mol
SMILES C=1([C@@]([C@@](OC(\C=C\c2ccccc2)=O)(C=CC1)[H])(OC(=O)C)[H])COC(=O)c1ccccc1
SPLASH splash10-053r-0910000000-8f75dff58fbd3ce327c3
Source of Spectrum AJ-59-655-4
Synonyms ((5S,6S)-6-(acetyloxy)-5-{[(2E)-3-phenyl-2-propenoyl]oxy}-1,3-cyclohexadien-1-yl)methyl benzoate
Wiley ID 1377295